ethyl 2-[[(1-aminocyclohexanecarbonyl)amino]methyl]-1,3-thiazole-4-carboxylate

C14H21N3O3S — CID 119887611

IUPACethyl 2-[[(1-aminocyclohexanecarbonyl)amino]methyl]-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(CNC(=O)C2(N)CCCCC2)n1
InChIInChI=1S/C14H21N3O3S/c1-2-20-12(18)10-9-21-11(17-10)8-16-13(19)14(15)6-4-3-5-7-14/h9H,2-8,15H2,1H3,(H,16,19)
InChIKeyCVFKXFCWVRVWTA-UHFFFAOYSA-N
MW311.41 g/mol
LogP1.60
Rot. Bonds5

About ethyl 2-[[(1-aminocyclohexanecarbonyl)amino]methyl]-1,3-thiazole-4-carboxylate

ethyl 2-[[(1-aminocyclohexanecarbonyl)amino]methyl]-1,3-thiazole-4-carboxylate (PubChem CID 119887611) has the molecular formula C14H21N3O3S and a molecular weight of 311.41 g/mol. Its IUPAC name is ethyl 2-[[(1-aminocyclohexanecarbonyl)amino]methyl]-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-[[(1-aminocyclohexanecarbonyl)amino]methyl]-1,3-thiazole-4-carboxylate
PubChem CID119887611
Molecular FormulaC14H21N3O3S
Molecular Weight311.41 g/mol
Exact Mass311.13
IUPAC Nameethyl 2-[[(1-aminocyclohexanecarbonyl)amino]methyl]-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(CNC(=O)C2(N)CCCCC2)n1
InChIInChI=1S/C14H21N3O3S/c1-2-20-12(18)10-9-21-11(17-10)8-16-13(19)14(15)6-4-3-5-7-14/h9H,2-8,15H2,1H3,(H,16,19)
InChIKeyCVFKXFCWVRVWTA-UHFFFAOYSA-N
XLogP1.60
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-amino-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]cyclohexane-1-carboxamide
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2-[[(1-methylcycloheptanecarbonyl)amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 120527099
ethyl 2-[[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]methyl]-1,3-thiazole-4-carboxylate;dihydrochloride
CID 119887590
ethyl 2-[[(2-methylbenzoyl)amino]methyl]-1,3-thiazole-4-carboxylate
CID 19864880
ethyl 2-(aminomethyl)-1,3-thiazole-4-carboxylate;hydrochloride
CID 71697793
ethyl 2-[[(2-amino-2-phenylpropanoyl)amino]methyl]-1,3-thiazole-4-carboxylate;dihydrochloride
CID 120596964
ethyl 2-(methylsulfanylmethyl)-1,3-thiazole-4-carboxylate
CID 115422507
ethyl 2-[[3,5-bis[(4-ethoxycarbonyl-1,3-thiazol-2-yl)methyl]-2,4,6-trimethylphenyl]methyl]-1,3-thiazole-4-carboxylate
CID 102278062
1-amino-N-[(5-methyl-1,3-thiazol-2-yl)methyl]cyclopentane-1-carboxamide
CID 103814785
ethyl 2-(16-hydroxyhexadecyl)-1,3-thiazole-4-carboxylate
CID 67114340
ethyl 2-[[[(1'R,4S)-6,7-dimethylspiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carbonyl]amino]methyl]-1,3-thiazole-4-carboxylate
CID 128974392
ethyl 2-[2-(benzylamino)-2-oxoethyl]-1,3-thiazole-4-carboxylate
CID 99816625

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[(1-aminocyclohexanecarbonyl)amino]methyl]-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 2-[[(1-aminocyclohexanecarbonyl)amino]methyl]-1,3-thiazole-4-carboxylate (CID 119887611) is ethyl 2-[[(1-aminocyclohexanecarbonyl)amino]methyl]-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 2-[[(1-aminocyclohexanecarbonyl)amino]methyl]-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 2-[[(1-aminocyclohexanecarbonyl)amino]methyl]-1,3-thiazole-4-carboxylate is CCOC(=O)c1csc(CNC(=O)C2(N)CCCCC2)n1.
What is the InChIKey of ethyl 2-[[(1-aminocyclohexanecarbonyl)amino]methyl]-1,3-thiazole-4-carboxylate?
The InChIKey is CVFKXFCWVRVWTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3S/c1-2-20-12(18)10-9-21-11(17-10)8-16-13(19)14(15)6-4-3-5-7-14/h9H,2-8,15H2,1H3,(H,16,19).
What are the key properties of ethyl 2-[[(1-aminocyclohexanecarbonyl)amino]methyl]-1,3-thiazole-4-carboxylate?
ethyl 2-[[(1-aminocyclohexanecarbonyl)amino]methyl]-1,3-thiazole-4-carboxylate has a molecular weight of 311.41 g/mol, XLogP of 1.60, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[(1-aminocyclohexanecarbonyl)amino]methyl]-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 119887611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).